4-(1-tetradecanoyloxypropan-2-yl)pyridine-3-carboxylate chloride

Systemtic Name: 4-(1-tetradecanoyloxypropan-2-yl)pyridine-3-carboxylate chloride Openeye Name: 4-(1-methyl-2-tetradecanoyloxy-ethyl)pyridine-3-carboxylate chloride CAS Name: 4-[1-(1-oxotetradecoxy)propan-2-yl]-3-pyridinecarboxylate chloride IUPAC Name: 4-(1-tetradecanoyloxypropan-2-yl)pyridine-3-carboxylate chloride Traditional Name: 4-(1-methyl-2-tetradecanoyloxy-ethyl)nicotinate chloride Formula: C23H36ClNO4-2 MolecularWeight: 425.98924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(C)C1=C(C=NC=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(C)C1=C(C=NC=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C23H37NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(25)28-18-19(2)20-15-16-24-17-21(20)23(26)27;/h15-17,19H,3-14,18H2,1-2H3,(H,26,27);1H/p-2